(3R)-1-ethanimidoylpyrrolidin-3-ol

C6H12N2O — CID 71355673

IUPAC(3R)-1-ethanimidoylpyrrolidin-3-ol
SMILES[H]/N=C(\C)N1CC[C@@H](O)C1
InChIInChI=1S/C6H12N2O/c1-5(7)8-3-2-6(9)4-8/h6-7,9H,2-4H2,1H3/b7-5+/t6-/m1/s1
InChIKeyUYIGJDYDUMGCNY-LUFONEFESA-N
MW128.18 g/mol
LogP0.05
Rot. Bonds

About (3R)-1-ethanimidoylpyrrolidin-3-ol

(3R)-1-ethanimidoylpyrrolidin-3-ol (PubChem CID 71355673) has the molecular formula C6H12N2O and a molecular weight of 128.18 g/mol. Its IUPAC name is (3R)-1-ethanimidoylpyrrolidin-3-ol.

Molecular Properties

Compound Name(3R)-1-ethanimidoylpyrrolidin-3-ol
PubChem CID71355673
Molecular FormulaC6H12N2O
Molecular Weight128.18 g/mol
Exact Mass128.09
IUPAC Name(3R)-1-ethanimidoylpyrrolidin-3-ol
SMILES[H]/N=C(\C)N1CC[C@@H](O)C1
InChIInChI=1S/C6H12N2O/c1-5(7)8-3-2-6(9)4-8/h6-7,9H,2-4H2,1H3/b7-5+/t6-/m1/s1
InChIKeyUYIGJDYDUMGCNY-LUFONEFESA-N
XLogP0.05
TPSA47.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.18
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-ethanimidoylpyrrolidin-3-ol?
The IUPAC name of (3R)-1-ethanimidoylpyrrolidin-3-ol (CID 71355673) is (3R)-1-ethanimidoylpyrrolidin-3-ol.
What is the SMILES notation for (3R)-1-ethanimidoylpyrrolidin-3-ol?
The canonical SMILES for (3R)-1-ethanimidoylpyrrolidin-3-ol is [H]/N=C(\C)N1CC[C@@H](O)C1.
What is the InChIKey of (3R)-1-ethanimidoylpyrrolidin-3-ol?
The InChIKey is UYIGJDYDUMGCNY-LUFONEFESA-N. The full InChI is InChI=1S/C6H12N2O/c1-5(7)8-3-2-6(9)4-8/h6-7,9H,2-4H2,1H3/b7-5+/t6-/m1/s1.
What are the key properties of (3R)-1-ethanimidoylpyrrolidin-3-ol?
(3R)-1-ethanimidoylpyrrolidin-3-ol has a molecular weight of 128.18 g/mol, XLogP of 0.05, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-ethanimidoylpyrrolidin-3-ol is sourced from PubChem (CID 71355673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).